SCHEMBL28097592

SCHEMBL28097592

CC(N)C(C)OP(=O)(O)O.CC(N)C(C)OP(=O)(O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LAP3 P28838 6/20 0.40
METAP1 P53582 1/20 0.37
ANPEP P15144 4/20 0.36
ERAP1 Q9NZ08 1/20 0.36
SMPD1 P17405 3/20 0.34
ALDH1A1 P00352 2/20 0.33
FDPS P14324 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
PIN1 Q13526 1/20 0.32
BLM P54132 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL183350 1.00 LAP3 (0.40) LAP3METAP1ANPEPERAP1SMPD1
SCHEMBL4954493 0.84 LAP3 (0.40) LAP3METAP1ANPEPERAP1SMPD1
SCHEMBL5963622 0.83 SMPD1 (0.39) LAP3METAP1ANPEPERAP1SMPD1
SCHEMBL15065562 0.81 FDPS (0.38) LAP3METAP1ANPEPERAP1FDPS
SCHEMBL12960884 0.78 LAP3 (0.38) LAP3METAP1SMPD1FDPSTDP1
SCHEMBL63997 0.78
SCHEMBL2475819 0.78 LAP3 (0.38) LAP3METAP1SMPD1FDPSTDP1
SCHEMBL13308410 0.77 SLC7A5 (0.46) LAP3
SCHEMBL540875 0.77 SLC7A5 (0.46) LAP3
SCHEMBL4289697 0.77 LAP3 (0.34) LAP3METAP1ANPEPERAP1SMPD1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105950525-A INTEGRATION OF A POLYNUCLEOTIDE ENCODING A POLYPEPTIDE THAT CATALYZES PYRUVATE TO ACETOLACTATE CONVERSION 布特马斯先进生物燃料有限责任公司 2016-09-21 CN claimed